Detailed information for compound 1530271

Basic information

Technical information
  • TDR Targets ID: 1530271
  • Name: 1-(4-methoxyphenyl)-4-[phenyl-[1-(phenylmethy l)tetrazol-5-yl]methyl]piperazine
  • MW: 440.54 | Formula: C26H28N6O
  • H donors: 0 H acceptors: 3 LogP: 4.29 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccccc1
  • InChi: 1S/C26H28N6O/c1-33-24-14-12-23(13-15-24)30-16-18-31(19-17-30)25(22-10-6-3-7-11-22)26-27-28-29-32(26)20-21-8-4-2-5-9-21/h2-15,25H,16-20H2,1H3
  • InChiKey: AVPPAMCZJVYGQY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-methoxyphenyl)-4-[phenyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]piperazine
  • 1-[[1-(benzyl)tetrazol-5-yl]-phenyl-methyl]-4-(4-methoxyphenyl)piperazine
  • 1-(4-methoxyphenyl)-4-[phenyl-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazine
  • 1-[(1-Benzyl-1H-tetrazol-5-yl)-phenyl-methyl]-4-(4-methoxy-phenyl)-piperazine
  • ASN 05555506

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0157 0.0912 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0157 0.0912 0.0912
Loa Loa (eye worm) MBOAT family protein 0.0157 0.0912 0.0912
Brugia malayi diacylglycerol acyltransferase 0.0157 0.0912 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0149 0.1633
Brugia malayi PHD-finger family protein 0.0035 0.0149 0.1633
Brugia malayi MBOAT family protein 0.0157 0.0912 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0195 0.0195
Trypanosoma cruzi glycerol uptake protein, putative 0.0157 0.0912 1
Trypanosoma brucei RNA helicase, putative 0.0042 0.019 0.2079
Loa Loa (eye worm) hypothetical protein 0.1447 0.9016 0.9016
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0149 0.0093
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0157 0.0912 0.0912
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0157 0.0912 0.086
Echinococcus multilocularis peregrin 0.0035 0.0149 0.0093
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0157 0.0912 0.0912
Mycobacterium ulcerans two component transcriptional regulator 0.0485 0.2971 1
Trichomonas vaginalis conserved hypothetical protein 0.0157 0.0912 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0149 0.0149
Echinococcus granulosus o acyltransferase membrane bound domain 0.0157 0.0912 0.086
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0503 0.0503
Leishmania major glycerol uptake protein, putative 0.0157 0.0912 1
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0157 0.0912 0.086
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0235 0.018
Mycobacterium tuberculosis Possible nitrate/nitrite response transcriptional regulatory protein NarL 0.0485 0.2971 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0157 0.0912 0.086
Trypanosoma cruzi GUP1, putative 0.0157 0.0912 1
Giardia lamblia PHD finger protein 15 0.0035 0.0149 0.5
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0157 0.0912 1
Schistosoma mansoni sterol O-acyltransferase 1 0.1604 1 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0149 0.1633
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0195 0.014
Trypanosoma brucei glycerol uptake protein, putative 0.0157 0.0912 1
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.0485 0.2971 1
Trichomonas vaginalis transmembrane protein nessy, putative 0.0157 0.0912 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0157 0.0912 0.0912
Schistosoma mansoni zinc finger protein 0.0157 0.0912 0.0912
Loa Loa (eye worm) hypothetical protein 0.0157 0.0912 0.0912
Leishmania major hypothetical protein, conserved 0.0157 0.0912 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0149 0.0093
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0149 0.1633
Schistosoma mansoni hypothetical protein 0.0157 0.0912 0.0912
Trypanosoma brucei glycerol uptake protein, putative 0.0157 0.0912 1
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0157 0.0912 0.086
Entamoeba histolytica vacuolar protein sorting 26 0.0157 0.0912 1
Trypanosoma cruzi GUP1, putative 0.0157 0.0912 1
Loa Loa (eye worm) hhat protein 0.0157 0.0912 0.0912
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0195 0.0195
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0157 0.0912 0.086
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0652 0.0599
Entamoeba histolytica hypothetical protein, conserved 0.0157 0.0912 1
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0157 0.0912 0.086
Leishmania major glycerol uptake protein, putative 0.0157 0.0912 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0235 0.018
Trichomonas vaginalis porcupine, putative 0.0157 0.0912 0.5
Loa Loa (eye worm) MBOAT family protein 0.0157 0.0912 0.0912
Brugia malayi Bromodomain containing protein 0.0035 0.0149 0.1633
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0035 0.015 0.1645
Leishmania major glycerol uptake protein, putative 0.0157 0.0912 1
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0157 0.0912 0.086
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0157 0.0912 0.086
Leishmania major glycerol uptake protein, putative 0.0157 0.0912 1
Brugia malayi MBOAT family protein 0.0157 0.0912 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0149 0.0149
Toxoplasma gondii hypothetical protein 0.0157 0.0912 1
Brugia malayi MBOAT family protein 0.0157 0.0912 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0157 0.0912 1
Trichomonas vaginalis conserved hypothetical protein 0.0157 0.0912 0.5
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0157 0.0912 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0035 0.015 0.0094
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0157 0.0912 0.086
Loa Loa (eye worm) hypothetical protein 0.0157 0.0912 0.0912
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0035 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0035 0.0149 0.0149
Entamoeba histolytica hypothetical protein 0.0157 0.0912 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0035 0.015 0.015
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0195 0.014
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0157 0.0912 0.086
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.0485 0.2971 1
Brugia malayi MBOAT family protein 0.0157 0.0912 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0157 0.0912 0.086
Plasmodium falciparum phd finger protein, putative 0.0035 0.0149 0.1633
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0195 0.0195
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0157 0.0912 0.086
Brugia malayi jmjC domain containing protein 0.0115 0.0652 0.7153
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0157 0.0912 1
Brugia malayi Hhat protein 0.0157 0.0912 1
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0157 0.0912 1
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0157 0.0912 0.086
Loa Loa (eye worm) hypothetical protein 0.1604 1 1
Loa Loa (eye worm) hhat protein 0.0157 0.0912 0.0912
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0035 0.015 0.0094
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0157 0.0912 0.0912
Schistosoma mansoni hypothetical protein 0.0042 0.019 0.019
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0149 0.0149
Onchocerca volvulus 0.0157 0.0912 1
Treponema pallidum alginate O-acetylation protein (algI) 0.0157 0.0912 0.5
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.0478 0.2931 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0157 0.0912 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0307 0.0307
Echinococcus multilocularis sterol O acyltransferase 1 0.1604 1 1
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0157 0.0912 0.0912
Echinococcus granulosus peregrin 0.0035 0.0149 0.0093
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0157 0.0912 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0035 0.015 0.1645
Brugia malayi jmjC domain containing protein 0.0043 0.0195 0.2143
Loa Loa (eye worm) hypothetical protein 0.0157 0.0912 0.0912
Loa Loa (eye worm) MBOAT family protein 0.0157 0.0912 0.0912
Trypanosoma cruzi glycerol uptake protein, putative 0.0157 0.0912 1
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0157 0.0912 0.086
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0157 0.0912 0.0912
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0157 0.0912 0.0912
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0652 0.0599
Leishmania major glycerol uptake protein, putative 0.0157 0.0912 1
Brugia malayi MBOAT family protein 0.0157 0.0912 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0384 0.0384
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0157 0.0912 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0157 0.0912 0.086

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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